SCHEMBL3929951

SCHEMBL3929951

CCCCCC1(CC)OO1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
THRB P10828 1/20 0.37
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
DNM1 Q05193 3/20 0.31
SLC22A1 O15245 2/20 0.30
SLC22A2 O15244 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7333127 0.97 TSHR (0.42) TSHRTHRBPTPN1CDC25BHTT
SCHEMBL9849421 0.97 TSHR (0.42) TSHRTHRBPTPN1CDC25BHTT
SCHEMBL14058730 0.97 TSHR (0.42) TSHRTHRBPTPN1CDC25BHTT
SCHEMBL10825612 0.86 TSHR (0.39) TSHRTHRBHTTLMNADNM1
SCHEMBL4396741 0.86 TSHR (0.39) TSHRTHRBHTTLMNADNM1
SCHEMBL19586815 0.83 TSHR (0.37) TSHRTHRBHTTLMNADNM1
SCHEMBL9849353 0.81 TSHR (0.42) TSHRTHRBHTTLMNADNM1
SCHEMBL9849481 0.79
SCHEMBL9849478 0.79 TSHR (0.38) TSHRTHRBHTTLMNA
SCHEMBL11057763 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112118841-A Spirocyclic ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2020-12-22 CN claimed
CN-107235867-A It is used as the aryl sultam derivative of RORc conditioning agents 弗·哈夫曼-拉罗切有限公司 2017-10-10 CN claimed
CN-104470917-B Aryl sultam derivatives as RORc modulators 弗·哈夫曼-拉罗切有限公司 2017-08-04 CN claimed
CN-104470917-A Aryl sultam derivatives as RORc modulators HOFFMANN LA ROCHE 2015-03-25 CN claimed
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 EP claimed
CN-116761798-A Indazoles as kinase inhibitors 泰拉生物科学公司 2023-09-15 CN disclosed
EP-3765020-A1 SPIROCYCLIC ROR-GAMMA MODULATORS Escalier Biosciences B.V. (US) 2021-01-20 EP disclosed
CN-112118841-A Spirocyclic ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2020-12-22 CN disclosed
WO-2019177997-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 WO disclosed
CN-105209448-B Tricyclic compounds and uses thereof 株式会社蒂奥姆生物 2018-09-14 CN disclosed
CN-108017603-A Tricyclic compounds and uses thereof 株式会社蒂奥姆生物 2018-05-11 CN disclosed
CN-107001281-A Substituted benzothiophene radical derivative is used as the GPR40 activators for treating type ii diabetes 詹森药业有限公司 2017-08-01 CN disclosed
EP-2041123-A2 FUSED CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-01 EP disclosed
WO-2008001931-A2 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-03 WO disclosed
US-5554640-A TREATMENT OF SEXUAL DYSFUNCTION, SCHEZOPHRENIA, APPATITE, GASTROINTESTINAL, AND CARDIOVASCULAR DISORDERS; ANXIOLYTIC AGENTS, ANALGESICS ELI LILLY AND COMPANY (US) 1996-09-10 US disclosed
US-5420294-A 5-HT 1 antagonists, selective for serotonin receptor ELI LILLY AND COMPANY (US) 1995-05-30 US disclosed
EP-0345056-B1 Improvements in and relating to serotonin antagonists LILLY CO ELI (US) 1995-02-01 EP disclosed
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 EP disclosed
US-5013761-A Selective ELI LILLY AND COMPANY (US) 1991-05-07 US disclosed
EP-0345056-A2 Improvements in and relating to serotonin antagonists ELI LILLY AND COMPANY (US) 1989-12-06 EP disclosed